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Pharmacophore Modelling and Synthesis of Quinoline-3-Carbohydrazide as Antioxidants
Author(s) -
Mustapha El Bakkali,
Lhassane Ismaïli,
Isabelle Tomassoli,
Laurent Nicod,
Marc Pudlo,
Bernard Refouvelet
Publication year - 2011
Publication title -
international journal of medicinal chemistry
Language(s) - English
Resource type - Journals
eISSN - 2090-2069
pISSN - 2090-2077
DOI - 10.1155/2011/592879
Subject(s) - carbohydrazide , pharmacophore , quinoline , computer science , combinatorial chemistry , chemistry , stereochemistry , medicinal chemistry , organic chemistry
From well-known antioxidants agents, we developed a first pharmacophore model containing four common chemical features: one aromatic ring and three hydrogen bond acceptors. This model served as a template in virtual screening of Maybridge and NCI databases that resulted in selection of sixteen compounds. The selected compounds showed a good antioxidant activity measured by three chemical tests: DPPH radical, OH° radical, and superoxide radical scavenging. New synthetic compounds with a good correlation with the model were prepared, and some of them presented a good antioxidant activity.

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